| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:36 UTC |
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| Update Date | 2025-03-21 18:28:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070777 |
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| Frequency | 42.5 |
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| Structure | |
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| Chemical Formula | C18H16N2O4S |
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| Molecular Mass | 356.0831 |
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| SMILES | Cc1ccc(-c2ccc(C(=O)O)n2-c2ccc(S(N)(=O)=O)cc2)cc1 |
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| InChI Key | LXITWWUUSNFMFJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsazacyclic compoundsbenzenesulfonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidespyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessubstituted pyrrolestoluenes |
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| Substituents | organosulfonic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundsubstituted pyrroleorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundbenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrrolehydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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